Geometry & MOs

Info

ID:	396217
PubChem CID:	135027733
Reduced:	H20C23 (1)
Stoich.:	A20B23 (1)
Weight, g/mol:	450.251858
ΔH_f, kcal/mol:	61.32
Dipole, Da:	0.72
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-2-(benzhydrylideneamino)-3-cyclohexyl-4-nitrobutanoate

Drug info:

PubChemData

Smile

CCCC1=C(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4

DOS

IR

Vibrations